MolNFT v1 · #83470 · protein
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L (NB4) from arabidopsis thaliana
3WJB · UPF0678 fatty acid-binding protein-like protein AT1G79260: “Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L (NB4) from arabidopsis thaliana”. X-ray diffraction, 1 ligand (BA), 3 pockets (best druggability 0.64).…
- PDB
- 3WJB
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0678 fatty acid-binding protein-like protein AT1G79260
- UniProt
- O64527
- Ligands
- BA
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | UPF0678 fatty acid-binding protein-like protein AT1G79260 | protein | 153 | 4% helix, 63% strand | O64527 |
Ligands and binding sites
- BA · Barium ion · metal · 4 copies · chains A, B
- P6G · Hexaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.64 | 0.78 | 58 | empty |
| 2 | 272 | 0.63 | 0.80 | 28 | P6G |
| 3 | 310 | 0.63 | 0.79 | 33 | P6G |
Interfaces
1 interface between chains.
- A–B · 989 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3WJB · Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L (NB4) from Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
- O64527 · AlphaFold monomer V2.0 prediction for UPF0678 fatty acid-binding protein-like protein… · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O64527
- Elsewhere: RCSB PDB 3WJB · PDBe 3WJB · UniProt O64527
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